EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22O4 |
| Net Charge | 0 |
| Average Mass | 314.381 |
| Monoisotopic Mass | 314.15181 |
| SMILES | [H]OC(=O)C([H])([H])c1c([H])c(C([H])([H])[H])c(Oc2c([H])c([H])c(O[H])c(C([H])(C([H])([H])[H])C([H])([H])[H])c2[H])c(C([H])([H])[H])c1[H] |
| InChI | InChI=1S/C19H22O4/c1-11(2)16-10-15(5-6-17(16)20)23-19-12(3)7-14(8-13(19)4)9-18(21)22/h5-8,10-11,20H,9H2,1-4H3,(H,21,22) |
| InChIKey | CWCHTDVUZXHTLC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-3,5-DIMETHYLPHENYL]ACETIC ACID (CHEBI:43472) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| {4-[4-hydroxy-3-(1-methylethyl)phenoxy]-3,5-dimethylphenyl}acetic acid | PDBeChem |
| [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-3,5-DIMETHYLPHENYL]ACETIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| IH5 | PDBeChem |